기본 정보
- CAS
625-84-3- 표준 SMILES
Cc1ccc(C)[nH]1- InChIKey
PAPNRQCYSFBWDI-UHFFFAOYSA-N- 분자식
- C6H9N
- 평균 분자량
- 95.14 g/mol
- 단동위원소 질량
- 95.07349929
이름 및 식별자
- 우선 이름
- 2,5-Dimethylpyrrole
- IUPAC
- 2,5-dimethyl-1H-pyrrole
- 현지명
- 2,5-디메틸피롤
- 영어명
- 2,5-Dimethyl-1H-pyrrole
- 분자식
- C6H9N
- 분자량
- 95.14
이름 및 동의어
2,5-Dimethyl-1H-pyrrole625-84-32,5-DIMETHYLPYRROLE1H-Pyrrole, 2,5-dimethyl-Pyrrole, 2,5-dimethyl-MZ3OYF5521NSC-4507DTXSID40211552RefChem:444609DTXCID70134043210-913-82,5-Dimethylazole
이름 더 보기
2,5-디메틸-H-피롤2,5-디메틸피롤2,5-다이메틸피롤Dimethylpyrrole2,5-dimethyl-pyrrol2,5-DMP2,5-dimethyl-1h-pyrrol2,5-1H-dimethylpyrrole2,5-DIMETHYPYRROLE2,5-bimethylpyrrol2,5-DIMETHYLPYROLE
Pyrrole,2,5-dimethylMFCD000052232,5-dimethyl-pyrrolePolypyrrole (Undoped, Deprotonated)2,5-Dimethylpyrrole, 98%2,5-DIMETHYL PYRROLEPyrrole,5-dimethyl-2, 5-Dimethylpyrrole
데이터베이스 식별자
- CAS
625-84-3- PubChem CID
- 12265
- DTXSID
DTXSID40211552- ChEMBL
CHEMBL3901947- ChEBI
CHEBI:185789- UNII
- MZ3OYF5521
- EC Number
- 210-913-8
- Nikkaji
- J95.507H
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 15.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 53
실험 및 물리화학적 성질
LogP1.47
Boiling Point168.00 to 171.00 °C. @ 740.00 mm Hg
Melting Point7.7 °C
Vapor Pressure0.8 [mmHg]
Physical Description
Liquid
Melting point = 7.7 deg C; [ChemIDplus] Liquid; [Aldrich MSDS]
Liquid
Kovats Retention Index
898；890；898；900；900；902
937；867
1589；1579；1589；1590；1600；1610；1635；1608.3；1601
물리화학적 성질
- 녹는점
- 6.5 °C · 6.5°C
- 끓는 점
- 165 °C/740 · 165 °C/740 mmHg (lit.)
- 밀도
- 0.935 g/mL · 0.935 g/mL at 25 °C (lit.)
- 증기압
- 44 · 44-490Pa at 20-50℃
- 굴절률
- 20 · n20/D 1.505(lit.)
- 인화점
- 130 °F · 130 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 수용성
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (99.8%): Flammable liquid and vapor [Warning Flammable liquids]；H301 (99.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1564 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: 1H-Pyrrole, 2,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1H-Pyrrole, 2,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Pyrrole, 2,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25447
1H-Pyrrole, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses somnolence, dyspnea, and diarrhea in oral lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion and skin absorption; Highly toxic by inhalation; [Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (99.8%)；Acute Tox. 3 (99.8%)
독성 정보
화학 및 산업
약리 정보
Cellular LocationsCytoplasm；Extracellular
용도 및 제조
UsesUsed as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 50,000 - <250,000 lb；2022: 50,000 - <250,000 lb；2021: <50,000 lb；2020: 50,000 - <250,000 lb
Industry UsesCatalyst
General Manufacturing Information
Petrochemical Manufacturing
1H-Pyrrole, 2,5-dimethyl-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
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